data_25492 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the HLTF HIRAN domain in its DNA-bound conformation. ; _BMRB_accession_number 25492 _BMRB_flat_file_name bmr25492.str _Entry_type original _Submission_date 2015-02-18 _Accession_date 2015-02-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Korzhnev Dmitry . . 2 Eldirany Sherif . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 615 "13C chemical shifts" 466 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-29 original BMRB . stop_ _Original_release_date 2015-06-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; HLTF's Ancient HIRAN Domain Binds 3' DNA Ends to Drive Replication Fork Reversal ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26051180 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kile Andrew . . 2 Chavez Diana A. . 3 Bacal Julien . . 4 Korzhnev Dmitry . . 5 Eldirany Sherif . . 6 Bezsonova Irina . . 7 Eichman Brandt F. . 8 Cimprich Karlene A. . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 58 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1090 _Page_last 1100 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HIRAN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13532.442 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSDEEVDSVLFGSLRGHVVG LRYYTGVVNNNEMVALQRDP NNPYDKNAIKVNNVNGNQVG HLKKELAGALAYIMDNKLAQ IEGVVPFGANNAFTMPLHMT FWGKEENRKAVSDQLKKHGF KL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 51 SER 3 52 ASP 4 53 GLU 5 54 GLU 6 55 VAL 7 56 ASP 8 57 SER 9 58 VAL 10 59 LEU 11 60 PHE 12 61 GLY 13 62 SER 14 63 LEU 15 64 ARG 16 65 GLY 17 66 HIS 18 67 VAL 19 68 VAL 20 69 GLY 21 70 LEU 22 71 ARG 23 72 TYR 24 73 TYR 25 74 THR 26 75 GLY 27 76 VAL 28 77 VAL 29 78 ASN 30 79 ASN 31 80 ASN 32 81 GLU 33 82 MET 34 83 VAL 35 84 ALA 36 85 LEU 37 86 GLN 38 87 ARG 39 88 ASP 40 89 PRO 41 90 ASN 42 91 ASN 43 92 PRO 44 93 TYR 45 94 ASP 46 95 LYS 47 96 ASN 48 97 ALA 49 98 ILE 50 99 LYS 51 100 VAL 52 101 ASN 53 102 ASN 54 103 VAL 55 104 ASN 56 105 GLY 57 106 ASN 58 107 GLN 59 108 VAL 60 109 GLY 61 110 HIS 62 111 LEU 63 112 LYS 64 113 LYS 65 114 GLU 66 115 LEU 67 116 ALA 68 117 GLY 69 118 ALA 70 119 LEU 71 120 ALA 72 121 TYR 73 122 ILE 74 123 MET 75 124 ASP 76 125 ASN 77 126 LYS 78 127 LEU 79 128 ALA 80 129 GLN 81 130 ILE 82 131 GLU 83 132 GLY 84 133 VAL 85 134 VAL 86 135 PRO 87 136 PHE 88 137 GLY 89 138 ALA 90 139 ASN 91 140 ASN 92 141 ALA 93 142 PHE 94 143 THR 95 144 MET 96 145 PRO 97 146 LEU 98 147 HIS 99 148 MET 100 149 THR 101 150 PHE 102 151 TRP 103 152 GLY 104 153 LYS 105 154 GLU 106 155 GLU 107 156 ASN 108 157 ARG 109 158 LYS 110 159 ALA 111 160 VAL 112 161 SER 113 162 ASP 114 163 GLN 115 164 LEU 116 165 LYS 117 166 LYS 118 167 HIS 119 168 GLY 120 169 PHE 121 170 LYS 122 171 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17085 HLTF 100.00 122 100.00 100.00 8.53e-83 BMRB 18458 HLTF-HIRAN 100.00 122 100.00 100.00 8.53e-83 PDB 2L1I "Nmr Structure Of The Hltf Hiran Domain" 100.00 122 100.00 100.00 8.53e-83 PDB 2MZN "Nmr Structure Of The Hltf Hiran Domain In Its Dna-bound Conformation" 100.00 122 100.00 100.00 8.53e-83 PDB 4S0N "Crystal Structure Of Hltf Hiran Domain Bound To Dna" 96.72 130 99.15 99.15 1.91e-78 PDB 4XZF "Crystal Structure Of Hiran Domain Of Human Hltf In Complex With Dna" 94.26 122 100.00 100.00 5.91e-77 PDB 4XZG "Crystal Structure Of Hiran Domain Of Human Hltf" 94.26 138 100.00 100.00 8.13e-77 DBJ BAD92289 "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a3 variant [Homo sapiens]" 99.18 992 100.00 100.00 1.72e-77 DBJ BAF83920 "unnamed protein product [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77 EMBL CAA86571 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77 EMBL CAD10805 "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 3 [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77 GB AAA67436 "ATPase [Homo sapiens]" 99.18 1009 100.00 100.00 3.24e-77 GB AAB27691 "DNA-binding protein/plasminogen activator inhibitor-1 regulator, partial [Homo sapiens]" 99.18 176 100.00 100.00 2.24e-81 GB AAH05260 "HLTF protein, partial [Homo sapiens]" 99.18 395 100.00 100.00 3.16e-79 GB AAH15498 "HLTF protein, partial [Homo sapiens]" 99.18 455 100.00 100.00 1.99e-79 GB AAH30976 "HLTF protein, partial [Homo sapiens]" 99.18 460 100.00 100.00 2.86e-79 REF NP_003062 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77 REF NP_620636 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77 REF XP_001138277 "PREDICTED: helicase-like transcription factor isoform X3 [Pan troglodytes]" 99.18 1009 100.00 100.00 2.74e-77 REF XP_002814205 "PREDICTED: helicase-like transcription factor isoform X3 [Pongo abelii]" 99.18 1009 99.17 100.00 3.84e-77 REF XP_003256297 "PREDICTED: helicase-like transcription factor isoform X1 [Nomascus leucogenys]" 99.18 1009 97.52 100.00 2.89e-76 SP Q14527 "RecName: Full=Helicase-like transcription factor; AltName: Full=DNA-binding protein/plasminogen activator inhibitor 1 regulator" 99.18 1009 100.00 100.00 3.37e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $entity 'recombinant technology' . Escherichia coli . pET28b 'gene sequence was codon-optimized for E. coli expression.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model PremiumCOMPACT _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_CN_filtered_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY CN_filtered' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 57 internal indirect . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 119 internal indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D HNCO' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 51 2 SER HA H 4.132 0.04 1 2 51 2 SER HB2 H 3.505 0.04 2 3 51 2 SER HB3 H 3.557 0.04 2 4 51 2 SER C C 175.388 0.40 1 5 51 2 SER CA C 59.546 0.40 1 6 51 2 SER CB C 64.627 0.40 1 7 52 3 ASP H H 8.271 0.04 1 8 52 3 ASP HA H 4.228 0.04 1 9 52 3 ASP HB2 H 2.371 0.04 2 10 52 3 ASP HB3 H 2.277 0.04 2 11 52 3 ASP C C 177.122 0.40 1 12 52 3 ASP CA C 55.747 0.40 1 13 52 3 ASP CB C 41.668 0.40 1 14 52 3 ASP N N 122.751 0.40 1 15 53 4 GLU H H 7.911 0.04 1 16 53 4 GLU HA H 3.915 0.04 1 17 53 4 GLU HB2 H 1.708 0.04 2 18 53 4 GLU HB3 H 1.584 0.04 2 19 53 4 GLU HG2 H 1.892 0.04 2 20 53 4 GLU HG3 H 1.892 0.04 2 21 53 4 GLU C C 177.380 0.40 1 22 53 4 GLU CA C 57.670 0.40 1 23 53 4 GLU CB C 31.096 0.40 1 24 53 4 GLU CG C 37.273 0.40 1 25 53 4 GLU N N 120.650 0.40 1 26 54 5 GLU H H 7.938 0.04 1 27 54 5 GLU HA H 3.982 0.04 1 28 54 5 GLU HB2 H 1.695 0.04 2 29 54 5 GLU HB3 H 1.588 0.04 2 30 54 5 GLU HG2 H 1.925 0.04 2 31 54 5 GLU HG3 H 1.885 0.04 2 32 54 5 GLU C C 177.364 0.40 1 33 54 5 GLU CA C 57.235 0.40 1 34 54 5 GLU CB C 30.913 0.40 1 35 54 5 GLU CG C 37.097 0.40 1 36 54 5 GLU N N 122.537 0.40 1 37 55 6 VAL H H 7.773 0.04 1 38 55 6 VAL HA H 3.820 0.04 1 39 55 6 VAL HB H 1.777 0.04 1 40 55 6 VAL HG1 H 0.614 0.04 2 41 55 6 VAL HG2 H 0.608 0.04 2 42 55 6 VAL C C 176.642 0.40 1 43 55 6 VAL CA C 63.079 0.40 1 44 55 6 VAL CB C 33.839 0.40 1 45 55 6 VAL CG1 C 22.093 0.40 2 46 55 6 VAL CG2 C 21.170 0.40 2 47 55 6 VAL N N 121.421 0.40 1 48 56 7 ASP H H 8.109 0.04 1 49 56 7 ASP HA H 4.321 0.04 1 50 56 7 ASP HB2 H 2.391 0.04 2 51 56 7 ASP HB3 H 2.322 0.04 2 52 56 7 ASP C C 176.628 0.40 1 53 56 7 ASP CA C 55.306 0.40 1 54 56 7 ASP CB C 41.796 0.40 1 55 56 7 ASP N N 124.256 0.40 1 56 57 8 SER H H 7.650 0.04 1 57 57 8 SER HA H 4.171 0.04 1 58 57 8 SER HB2 H 3.434 0.04 2 59 57 8 SER HB3 H 3.390 0.04 2 60 57 8 SER C C 174.493 0.40 1 61 57 8 SER CA C 59.127 0.40 1 62 57 8 SER CB C 65.240 0.40 1 63 57 8 SER N N 116.602 0.40 1 64 58 9 VAL H H 9.140 0.04 1 65 58 9 VAL HA H 4.343 0.04 1 66 58 9 VAL HB H 1.888 0.04 1 67 58 9 VAL HG1 H 0.716 0.04 2 68 58 9 VAL HG2 H 0.681 0.04 2 69 58 9 VAL C C 175.102 0.40 1 70 58 9 VAL CA C 60.699 0.40 1 71 58 9 VAL CB C 35.738 0.40 1 72 58 9 VAL CG1 C 22.494 0.40 2 73 58 9 VAL CG2 C 19.921 0.40 2 74 58 9 VAL N N 121.062 0.40 1 75 59 10 LEU H H 7.899 0.04 1 76 59 10 LEU HA H 3.208 0.04 1 77 59 10 LEU HB2 H 1.154 0.04 2 78 59 10 LEU HB3 H 0.360 0.04 2 79 59 10 LEU HG H 0.505 0.04 1 80 59 10 LEU HD1 H 0.333 0.04 2 81 59 10 LEU HD2 H -0.246 0.04 2 82 59 10 LEU C C 178.716 0.40 1 83 59 10 LEU CA C 55.431 0.40 1 84 59 10 LEU CB C 42.527 0.40 1 85 59 10 LEU CG C 27.392 0.40 1 86 59 10 LEU CD1 C 26.698 0.40 2 87 59 10 LEU CD2 C 23.030 0.40 2 88 59 10 LEU N N 124.289 0.40 1 89 60 11 PHE H H 8.895 0.04 1 90 60 11 PHE HA H 4.621 0.04 1 91 60 11 PHE HB2 H 2.775 0.04 2 92 60 11 PHE HB3 H 2.526 0.04 2 93 60 11 PHE C C 177.138 0.40 1 94 60 11 PHE CA C 55.668 0.40 1 95 60 11 PHE CB C 38.542 0.40 1 96 60 11 PHE N N 127.867 0.40 1 97 61 12 GLY H H 6.803 0.04 1 98 61 12 GLY HA2 H 4.255 0.04 2 99 61 12 GLY HA3 H 3.424 0.04 2 100 61 12 GLY C C 171.354 0.40 1 101 61 12 GLY CA C 45.147 0.40 1 102 61 12 GLY N N 104.204 0.40 1 103 62 13 SER H H 8.545 0.04 1 104 62 13 SER HA H 5.415 0.04 1 105 62 13 SER HB2 H 3.368 0.04 2 106 62 13 SER HB3 H 3.264 0.04 2 107 62 13 SER C C 172.742 0.40 1 108 62 13 SER CA C 57.782 0.40 1 109 62 13 SER CB C 68.090 0.40 1 110 62 13 SER N N 115.283 0.40 1 111 63 14 LEU H H 8.641 0.04 1 112 63 14 LEU HA H 4.320 0.04 1 113 63 14 LEU HB2 H 1.428 0.04 2 114 63 14 LEU HB3 H 1.121 0.04 2 115 63 14 LEU HG H 0.329 0.04 1 116 63 14 LEU HD1 H 0.554 0.04 2 117 63 14 LEU HD2 H 0.555 0.04 2 118 63 14 LEU C C 175.455 0.40 1 119 63 14 LEU CA C 55.175 0.40 1 120 63 14 LEU CB C 48.522 0.40 1 121 63 14 LEU CG C 27.333 0.40 1 122 63 14 LEU CD1 C 25.448 0.40 2 123 63 14 LEU CD2 C 25.435 0.40 2 124 63 14 LEU N N 120.955 0.40 1 125 64 15 ARG H H 8.289 0.04 1 126 64 15 ARG HA H 4.725 0.04 1 127 64 15 ARG HB2 H 1.617 0.04 2 128 64 15 ARG HB3 H 1.510 0.04 2 129 64 15 ARG HG2 H 1.229 0.04 2 130 64 15 ARG HG3 H 1.187 0.04 2 131 64 15 ARG HD2 H 2.891 0.04 2 132 64 15 ARG HD3 H 2.856 0.04 2 133 64 15 ARG C C 176.629 0.40 1 134 64 15 ARG CA C 55.584 0.40 1 135 64 15 ARG CB C 31.603 0.40 1 136 64 15 ARG CG C 28.152 0.40 1 137 64 15 ARG CD C 43.767 0.40 1 138 64 15 ARG N N 125.221 0.40 1 139 65 16 GLY H H 8.540 0.04 1 140 65 16 GLY HA2 H 4.268 0.04 2 141 65 16 GLY HA3 H 3.051 0.04 2 142 65 16 GLY C C 172.784 0.40 1 143 65 16 GLY CA C 45.566 0.40 1 144 65 16 GLY N N 112.442 0.40 1 145 66 17 HIS H H 6.699 0.04 1 146 66 17 HIS HA H 4.984 0.04 1 147 66 17 HIS HB2 H 2.350 0.04 2 148 66 17 HIS HB3 H 2.604 0.04 2 149 66 17 HIS C C 174.571 0.40 1 150 66 17 HIS CA C 57.791 0.40 1 151 66 17 HIS CB C 35.851 0.40 1 152 66 17 HIS N N 117.440 0.40 1 153 67 18 VAL H H 9.347 0.04 1 154 67 18 VAL HA H 4.080 0.04 1 155 67 18 VAL HB H 1.819 0.04 1 156 67 18 VAL HG1 H 0.472 0.04 2 157 67 18 VAL HG2 H 0.493 0.04 2 158 67 18 VAL C C 175.991 0.40 1 159 67 18 VAL CA C 62.350 0.40 1 160 67 18 VAL CB C 32.894 0.40 1 161 67 18 VAL CG1 C 22.472 0.40 2 162 67 18 VAL CG2 C 23.954 0.40 2 163 67 18 VAL N N 124.082 0.40 1 164 68 19 VAL H H 9.187 0.04 1 165 68 19 VAL HA H 4.983 0.04 1 166 68 19 VAL HB H 2.349 0.04 1 167 68 19 VAL HG1 H 0.755 0.04 2 168 68 19 VAL HG2 H 0.797 0.04 2 169 68 19 VAL C C 176.940 0.40 1 170 68 19 VAL CA C 60.095 0.40 1 171 68 19 VAL CB C 35.866 0.40 1 172 68 19 VAL CG1 C 22.685 0.40 2 173 68 19 VAL CG2 C 19.209 0.40 2 174 68 19 VAL N N 119.330 0.40 1 175 69 20 GLY H H 9.160 0.04 1 176 69 20 GLY HA2 H 4.178 0.04 2 177 69 20 GLY HA3 H 3.801 0.04 2 178 69 20 GLY C C 176.080 0.40 1 179 69 20 GLY CA C 47.754 0.40 1 180 69 20 GLY N N 108.799 0.40 1 181 70 21 LEU H H 6.761 0.04 1 182 70 21 LEU HA H 4.096 0.04 1 183 70 21 LEU HB2 H 1.191 0.04 2 184 70 21 LEU HB3 H 1.216 0.04 2 185 70 21 LEU HG H 1.313 0.04 1 186 70 21 LEU HD1 H 0.329 0.04 2 187 70 21 LEU HD2 H 0.397 0.04 2 188 70 21 LEU C C 180.919 0.40 1 189 70 21 LEU CA C 58.104 0.40 1 190 70 21 LEU CB C 41.908 0.40 1 191 70 21 LEU CG C 28.502 0.40 1 192 70 21 LEU CD1 C 27.089 0.40 2 193 70 21 LEU CD2 C 24.856 0.40 2 194 70 21 LEU N N 115.170 0.40 1 195 71 22 ARG H H 8.167 0.04 1 196 71 22 ARG HA H 3.749 0.04 1 197 71 22 ARG HB2 H 1.007 0.04 2 198 71 22 ARG HB3 H 1.179 0.04 2 199 71 22 ARG HG2 H 0.687 0.04 2 200 71 22 ARG HG3 H 0.048 0.04 2 201 71 22 ARG HD2 H 2.520 0.04 2 202 71 22 ARG HD3 H 2.492 0.04 2 203 71 22 ARG C C 177.953 0.40 1 204 71 22 ARG CA C 58.113 0.40 1 205 71 22 ARG CB C 30.068 0.40 1 206 71 22 ARG CG C 25.632 0.40 1 207 71 22 ARG CD C 44.772 0.40 1 208 71 22 ARG N N 114.239 0.40 1 209 72 23 TYR H H 7.333 0.04 1 210 72 23 TYR HA H 3.815 0.04 1 211 72 23 TYR HB2 H 2.254 0.04 2 212 72 23 TYR HB3 H 1.838 0.04 2 213 72 23 TYR C C 174.749 0.40 1 214 72 23 TYR CA C 58.814 0.40 1 215 72 23 TYR CB C 37.817 0.40 1 216 72 23 TYR N N 119.348 0.40 1 217 73 24 TYR H H 6.986 0.04 1 218 73 24 TYR HA H 3.769 0.04 1 219 73 24 TYR C C 176.716 0.40 1 220 73 24 TYR CA C 57.384 0.40 1 221 73 24 TYR N N 117.827 0.40 1 222 74 25 THR H H 8.350 0.04 1 223 74 25 THR HA H 4.339 0.04 1 224 74 25 THR HB H 4.182 0.04 1 225 74 25 THR HG2 H 0.836 0.04 1 226 74 25 THR C C 177.109 0.40 1 227 74 25 THR CA C 61.869 0.40 1 228 74 25 THR CB C 70.817 0.40 1 229 74 25 THR CG2 C 22.472 0.40 1 230 74 25 THR N N 108.253 0.40 1 231 75 26 GLY H H 7.589 0.04 1 232 75 26 GLY HA2 H 3.607 0.04 2 233 75 26 GLY HA3 H 2.780 0.04 2 234 75 26 GLY C C 173.903 0.40 1 235 75 26 GLY CA C 47.066 0.40 1 236 75 26 GLY N N 111.655 0.40 1 237 76 27 VAL H H 7.683 0.04 1 238 76 27 VAL HA H 4.159 0.04 1 239 76 27 VAL HB H 1.663 0.04 1 240 76 27 VAL HG1 H 0.528 0.04 2 241 76 27 VAL HG2 H 0.583 0.04 2 242 76 27 VAL C C 176.771 0.40 1 243 76 27 VAL CA C 61.795 0.40 1 244 76 27 VAL CB C 35.413 0.40 1 245 76 27 VAL CG1 C 22.335 0.40 2 246 76 27 VAL CG2 C 21.022 0.40 2 247 76 27 VAL N N 122.677 0.40 1 248 77 28 VAL H H 8.470 0.04 1 249 77 28 VAL HA H 4.057 0.04 1 250 77 28 VAL HB H 1.553 0.04 1 251 77 28 VAL HG1 H 0.524 0.04 2 252 77 28 VAL HG2 H 0.583 0.04 2 253 77 28 VAL C C 173.920 0.40 1 254 77 28 VAL CA C 61.073 0.40 1 255 77 28 VAL CB C 36.582 0.40 1 256 77 28 VAL CG1 C 22.697 0.40 2 257 77 28 VAL CG2 C 22.891 0.40 2 258 77 28 VAL N N 123.680 0.40 1 259 78 29 ASN H H 7.519 0.04 1 260 78 29 ASN HA H 4.510 0.04 1 261 78 29 ASN HB2 H 2.348 0.04 2 262 78 29 ASN HB3 H 2.062 0.04 2 263 78 29 ASN C C 174.637 0.40 1 264 78 29 ASN CA C 52.136 0.40 1 265 78 29 ASN CB C 42.117 0.40 1 266 78 29 ASN N N 121.071 0.40 1 267 79 30 ASN H H 8.069 0.04 1 268 79 30 ASN HA H 3.785 0.04 1 269 79 30 ASN HB2 H 2.267 0.04 2 270 79 30 ASN HB3 H 2.213 0.04 2 271 79 30 ASN C C 177.430 0.40 1 272 79 30 ASN CA C 55.865 0.40 1 273 79 30 ASN CB C 39.073 0.40 1 274 79 30 ASN N N 117.674 0.40 1 275 80 31 ASN H H 8.810 0.04 1 276 80 31 ASN HA H 3.835 0.04 1 277 80 31 ASN HB2 H 2.701 0.04 2 278 80 31 ASN HB3 H 2.506 0.04 2 279 80 31 ASN C C 174.497 0.40 1 280 80 31 ASN CA C 55.890 0.40 1 281 80 31 ASN CB C 38.364 0.40 1 282 80 31 ASN N N 117.097 0.40 1 283 81 32 GLU H H 7.224 0.04 1 284 81 32 GLU HA H 4.056 0.04 1 285 81 32 GLU HB2 H 1.825 0.04 2 286 81 32 GLU HB3 H 1.626 0.04 2 287 81 32 GLU HG2 H 2.155 0.04 2 288 81 32 GLU HG3 H 1.930 0.04 2 289 81 32 GLU C C 176.013 0.40 1 290 81 32 GLU CA C 56.903 0.40 1 291 81 32 GLU CB C 33.459 0.40 1 292 81 32 GLU CG C 38.754 0.40 1 293 81 32 GLU N N 120.093 0.40 1 294 82 33 MET H H 7.834 0.04 1 295 82 33 MET HA H 4.633 0.04 1 296 82 33 MET HB2 H 1.754 0.04 2 297 82 33 MET HB3 H 1.723 0.04 2 298 82 33 MET HG2 H 2.330 0.04 2 299 82 33 MET HG3 H 2.288 0.04 2 300 82 33 MET HE H 1.722 0.04 1 301 82 33 MET C C 176.181 0.40 1 302 82 33 MET CA C 56.515 0.40 1 303 82 33 MET CB C 34.397 0.40 1 304 82 33 MET CG C 32.859 0.40 1 305 82 33 MET CE C 17.784 0.40 1 306 82 33 MET N N 121.855 0.40 1 307 83 34 VAL H H 7.395 0.04 1 308 83 34 VAL HA H 4.241 0.04 1 309 83 34 VAL HB H 1.795 0.04 1 310 83 34 VAL HG1 H 0.339 0.04 2 311 83 34 VAL HG2 H 0.068 0.04 2 312 83 34 VAL C C 174.847 0.40 1 313 83 34 VAL CA C 59.792 0.40 1 314 83 34 VAL CB C 34.747 0.40 1 315 83 34 VAL CG1 C 23.357 0.40 2 316 83 34 VAL CG2 C 19.359 0.40 2 317 83 34 VAL N N 112.666 0.40 1 318 84 35 ALA H H 8.571 0.04 1 319 84 35 ALA HA H 4.393 0.04 1 320 84 35 ALA HB H 0.866 0.04 1 321 84 35 ALA C C 176.681 0.40 1 322 84 35 ALA CA C 51.363 0.40 1 323 84 35 ALA CB C 22.694 0.40 1 324 84 35 ALA N N 124.024 0.40 1 325 85 36 LEU H H 8.109 0.04 1 326 85 36 LEU HA H 4.695 0.04 1 327 85 36 LEU HB2 H 1.349 0.04 2 328 85 36 LEU HB3 H 0.739 0.04 2 329 85 36 LEU HG H 1.189 0.04 1 330 85 36 LEU HD1 H 0.295 0.04 2 331 85 36 LEU HD2 H 0.296 0.04 2 332 85 36 LEU C C 177.702 0.40 1 333 85 36 LEU CA C 54.511 0.40 1 334 85 36 LEU CB C 43.062 0.40 1 335 85 36 LEU CG C 29.020 0.40 1 336 85 36 LEU CD1 C 25.632 0.40 2 337 85 36 LEU CD2 C 25.773 0.40 2 338 85 36 LEU N N 122.948 0.40 1 339 86 37 GLN H H 8.483 0.04 1 340 86 37 GLN HA H 4.345 0.04 1 341 86 37 GLN HB2 H 1.503 0.04 2 342 86 37 GLN HB3 H 1.262 0.04 2 343 86 37 GLN HG2 H 2.016 0.04 2 344 86 37 GLN HG3 H 1.829 0.04 2 345 86 37 GLN C C 176.050 0.40 1 346 86 37 GLN CA C 55.028 0.40 1 347 86 37 GLN CB C 33.859 0.40 1 348 86 37 GLN CG C 34.235 0.40 1 349 86 37 GLN N N 124.316 0.40 1 350 87 38 ARG H H 9.130 0.04 1 351 87 38 ARG HB2 H 1.049 0.04 2 352 87 38 ARG HB3 H 1.202 0.04 2 353 87 38 ARG C C 177.068 0.40 1 354 87 38 ARG CB C 30.030 0.40 1 355 87 38 ARG N N 130.047 0.40 1 356 88 39 ASP H H 7.849 0.04 1 357 88 39 ASP HA H 4.908 0.04 1 358 88 39 ASP HB2 H 1.941 0.04 2 359 88 39 ASP HB3 H 2.621 0.04 2 360 88 39 ASP CA C 51.677 0.40 1 361 88 39 ASP CB C 43.123 0.40 1 362 88 39 ASP N N 119.223 0.40 1 363 89 40 PRO HA H 4.579 0.04 1 364 89 40 PRO HB2 H 2.052 0.04 2 365 89 40 PRO HB3 H 1.702 0.04 2 366 89 40 PRO HG2 H 1.637 0.04 2 367 89 40 PRO HG3 H 1.564 0.04 2 368 89 40 PRO HD2 H 3.558 0.04 2 369 89 40 PRO HD3 H 2.981 0.04 2 370 89 40 PRO C C 177.589 0.40 1 371 89 40 PRO CA C 64.305 0.40 1 372 89 40 PRO CB C 33.195 0.40 1 373 89 40 PRO CG C 27.842 0.40 1 374 89 40 PRO CD C 51.297 0.40 1 375 90 41 ASN H H 7.583 0.04 1 376 90 41 ASN HA H 4.446 0.04 1 377 90 41 ASN HB2 H 2.603 0.04 2 378 90 41 ASN HB3 H 2.335 0.04 2 379 90 41 ASN C C 175.263 0.40 1 380 90 41 ASN CA C 53.252 0.40 1 381 90 41 ASN CB C 39.789 0.40 1 382 90 41 ASN N N 116.029 0.40 1 383 91 42 ASN H H 7.068 0.04 1 384 91 42 ASN HA H 4.296 0.04 1 385 91 42 ASN HB2 H 2.391 0.04 2 386 91 42 ASN HB3 H 2.939 0.04 2 387 91 42 ASN CA C 53.608 0.40 1 388 91 42 ASN CB C 40.183 0.40 1 389 91 42 ASN N N 125.053 0.40 1 390 92 43 PRO HA H 3.773 0.04 1 391 92 43 PRO HB2 H 1.666 0.04 2 392 92 43 PRO HB3 H 0.927 0.04 2 393 92 43 PRO HG2 H 1.236 0.04 2 394 92 43 PRO HG3 H 1.525 0.04 2 395 92 43 PRO HD2 H 3.272 0.04 2 396 92 43 PRO HD3 H 3.600 0.04 2 397 92 43 PRO C C 177.564 0.40 1 398 92 43 PRO CA C 64.860 0.40 1 399 92 43 PRO CB C 32.377 0.40 1 400 92 43 PRO CG C 27.655 0.40 1 401 92 43 PRO CD C 51.636 0.40 1 402 93 44 TYR H H 7.920 0.04 1 403 93 44 TYR HA H 3.776 0.04 1 404 93 44 TYR HB2 H 1.942 0.04 2 405 93 44 TYR HB3 H 2.433 0.04 2 406 93 44 TYR C C 176.938 0.40 1 407 93 44 TYR CA C 59.903 0.40 1 408 93 44 TYR CB C 39.108 0.40 1 409 93 44 TYR N N 117.807 0.40 1 410 94 45 ASP H H 6.995 0.04 1 411 94 45 ASP HA H 4.189 0.04 1 412 94 45 ASP HB2 H 2.397 0.04 2 413 94 45 ASP HB3 H 2.136 0.04 2 414 94 45 ASP C C 176.160 0.40 1 415 94 45 ASP CA C 54.581 0.40 1 416 94 45 ASP CB C 43.096 0.40 1 417 94 45 ASP N N 118.032 0.40 1 418 95 46 LYS H H 8.470 0.04 1 419 95 46 LYS HA H 3.945 0.04 1 420 95 46 LYS HB2 H 1.591 0.04 2 421 95 46 LYS HB3 H 1.591 0.04 2 422 95 46 LYS HG2 H 1.192 0.04 2 423 95 46 LYS HG3 H 1.025 0.04 2 424 95 46 LYS HD2 H 1.373 0.04 2 425 95 46 LYS HD3 H 1.373 0.04 2 426 95 46 LYS HE2 H 2.632 0.04 2 427 95 46 LYS HE3 H 2.632 0.04 2 428 95 46 LYS C C 178.263 0.40 1 429 95 46 LYS CA C 59.082 0.40 1 430 95 46 LYS CB C 32.387 0.40 1 431 95 46 LYS CG C 24.804 0.40 1 432 95 46 LYS CD C 30.082 0.40 1 433 95 46 LYS CE C 42.990 0.40 1 434 95 46 LYS N N 127.518 0.40 1 435 96 47 ASN H H 7.986 0.04 1 436 96 47 ASN HA H 4.052 0.04 1 437 96 47 ASN HB2 H 2.685 0.04 2 438 96 47 ASN HB3 H 2.435 0.04 2 439 96 47 ASN C C 173.562 0.40 1 440 96 47 ASN CA C 54.105 0.40 1 441 96 47 ASN CB C 39.195 0.40 1 442 96 47 ASN N N 119.054 0.40 1 443 97 48 ALA H H 6.777 0.04 1 444 97 48 ALA HA H 3.356 0.04 1 445 97 48 ALA HB H 1.279 0.04 1 446 97 48 ALA CA C 54.662 0.40 1 447 97 48 ALA CB C 20.741 0.40 1 448 97 48 ALA N N 117.654 0.40 1 449 98 49 ILE H H 8.960 0.04 1 450 98 49 ILE HA H 3.990 0.04 1 451 98 49 ILE HB H 1.115 0.04 1 452 98 49 ILE HG12 H 1.979 0.04 2 453 98 49 ILE HG13 H 1.979 0.04 2 454 98 49 ILE HG2 H 0.359 0.04 1 455 98 49 ILE HD1 H 0.485 0.04 1 456 98 49 ILE C C 176.276 0.40 1 457 98 49 ILE CA C 62.549 0.40 1 458 98 49 ILE CB C 42.934 0.40 1 459 98 49 ILE CG1 C 29.543 0.40 1 460 98 49 ILE CG2 C 19.690 0.40 1 461 98 49 ILE CD1 C 18.000 0.40 1 462 98 49 ILE N N 125.202 0.40 1 463 99 50 LYS H H 8.929 0.04 1 464 99 50 LYS HA H 3.841 0.04 1 465 99 50 LYS HB2 H 1.470 0.04 2 466 99 50 LYS HB3 H 1.140 0.04 2 467 99 50 LYS HG2 H 1.390 0.04 2 468 99 50 LYS HG3 H 1.390 0.04 2 469 99 50 LYS HD2 H 1.216 0.04 2 470 99 50 LYS HD3 H 1.350 0.04 2 471 99 50 LYS HE2 H 2.517 0.04 2 472 99 50 LYS HE3 H 2.517 0.04 2 473 99 50 LYS C C 175.982 0.40 1 474 99 50 LYS CA C 57.388 0.40 1 475 99 50 LYS CB C 35.213 0.40 1 476 99 50 LYS CG C 25.785 0.40 1 477 99 50 LYS CD C 30.696 0.40 1 478 99 50 LYS CE C 42.812 0.40 1 479 99 50 LYS N N 127.266 0.40 1 480 100 51 VAL H H 7.363 0.04 1 481 100 51 VAL HA H 4.158 0.04 1 482 100 51 VAL HG1 H 0.324 0.04 2 483 100 51 VAL HG2 H 0.235 0.04 2 484 100 51 VAL C C 174.786 0.40 1 485 100 51 VAL CA C 61.814 0.40 1 486 100 51 VAL CG1 C 21.825 0.40 2 487 100 51 VAL CG2 C 21.235 0.40 2 488 100 51 VAL N N 120.680 0.40 1 489 101 52 ASN H H 8.997 0.04 1 490 101 52 ASN HA H 5.074 0.04 1 491 101 52 ASN HB2 H 2.165 0.04 2 492 101 52 ASN HB3 H 1.963 0.04 2 493 101 52 ASN C C 175.753 0.40 1 494 101 52 ASN CA C 51.448 0.40 1 495 101 52 ASN CB C 42.130 0.40 1 496 101 52 ASN N N 127.192 0.40 1 497 102 53 ASN H H 8.255 0.04 1 498 102 53 ASN HA H 4.561 0.04 1 499 102 53 ASN HB2 H 3.507 0.04 2 500 102 53 ASN HB3 H 2.203 0.04 2 501 102 53 ASN C C 178.869 0.40 1 502 102 53 ASN CA C 51.909 0.40 1 503 102 53 ASN CB C 40.117 0.40 1 504 102 53 ASN N N 118.027 0.40 1 505 103 54 VAL H H 8.851 0.04 1 506 103 54 VAL HA H 3.511 0.04 1 507 103 54 VAL HB H 1.921 0.04 1 508 103 54 VAL HG1 H 0.656 0.04 2 509 103 54 VAL HG2 H 0.639 0.04 2 510 103 54 VAL C C 176.966 0.40 1 511 103 54 VAL CA C 65.684 0.40 1 512 103 54 VAL CB C 32.615 0.40 1 513 103 54 VAL CG1 C 21.746 0.40 2 514 103 54 VAL CG2 C 20.567 0.40 2 515 103 54 VAL N N 118.129 0.40 1 516 104 55 ASN H H 7.146 0.04 1 517 104 55 ASN HA H 4.495 0.04 1 518 104 55 ASN HB2 H 2.639 0.04 2 519 104 55 ASN HB3 H 2.288 0.04 2 520 104 55 ASN C C 176.162 0.40 1 521 104 55 ASN CA C 54.139 0.40 1 522 104 55 ASN CB C 40.167 0.40 1 523 104 55 ASN N N 117.864 0.40 1 524 105 56 GLY H H 7.867 0.04 1 525 105 56 GLY HA2 H 3.921 0.04 2 526 105 56 GLY HA3 H 3.148 0.04 2 527 105 56 GLY C C 174.349 0.40 1 528 105 56 GLY CA C 46.019 0.40 1 529 105 56 GLY N N 108.029 0.40 1 530 106 57 ASN H H 7.658 0.04 1 531 106 57 ASN HA H 4.462 0.04 1 532 106 57 ASN HB2 H 2.433 0.04 2 533 106 57 ASN HB3 H 2.213 0.04 2 534 106 57 ASN C C 175.720 0.40 1 535 106 57 ASN CA C 53.233 0.40 1 536 106 57 ASN CB C 40.755 0.40 1 537 106 57 ASN N N 119.971 0.40 1 538 107 58 GLN H H 8.649 0.04 1 539 107 58 GLN HA H 4.348 0.04 1 540 107 58 GLN C C 176.582 0.40 1 541 107 58 GLN CA C 59.013 0.40 1 542 107 58 GLN N N 127.295 0.40 1 543 108 59 VAL H H 9.197 0.04 1 544 108 59 VAL HA H 3.583 0.04 1 545 108 59 VAL HB H 1.223 0.04 1 546 108 59 VAL HG1 H 0.421 0.04 2 547 108 59 VAL HG2 H 0.322 0.04 2 548 108 59 VAL C C 175.869 0.40 1 549 108 59 VAL CA C 63.154 0.40 1 550 108 59 VAL CB C 35.043 0.40 1 551 108 59 VAL CG1 C 21.944 0.40 2 552 108 59 VAL CG2 C 22.169 0.40 2 553 108 59 VAL N N 126.515 0.40 1 554 109 60 GLY H H 6.612 0.04 1 555 109 60 GLY HA2 H 3.778 0.04 2 556 109 60 GLY HA3 H 3.723 0.04 2 557 109 60 GLY C C 173.935 0.40 1 558 109 60 GLY CA C 46.807 0.40 1 559 109 60 GLY N N 101.297 0.40 1 560 110 61 HIS H H 8.994 0.04 1 561 110 61 HIS HA H 5.064 0.04 1 562 110 61 HIS HB2 H 3.454 0.04 2 563 110 61 HIS HB3 H 3.454 0.04 2 564 110 61 HIS C C 175.634 0.40 1 565 110 61 HIS CA C 58.135 0.40 1 566 110 61 HIS CB C 34.416 0.40 1 567 110 61 HIS N N 124.572 0.40 1 568 111 62 LEU H H 8.254 0.04 1 569 111 62 LEU HA H 3.913 0.04 1 570 111 62 LEU HB2 H 1.091 0.04 2 571 111 62 LEU HB3 H 1.036 0.04 2 572 111 62 LEU HG H 0.933 0.04 1 573 111 62 LEU HD1 H -0.032 0.04 2 574 111 62 LEU HD2 H -0.169 0.04 2 575 111 62 LEU C C 177.827 0.40 1 576 111 62 LEU CA C 56.961 0.40 1 577 111 62 LEU CB C 44.168 0.40 1 578 111 62 LEU CG C 27.527 0.40 1 579 111 62 LEU CD1 C 25.771 0.40 2 580 111 62 LEU CD2 C 24.548 0.40 2 581 111 62 LEU N N 120.339 0.40 1 582 112 63 LYS H H 7.769 0.04 1 583 112 63 LYS HA H 3.965 0.04 1 584 112 63 LYS HB2 H 1.785 0.04 2 585 112 63 LYS HB3 H 1.541 0.04 2 586 112 63 LYS HG2 H 1.502 0.04 2 587 112 63 LYS HG3 H 1.595 0.04 2 588 112 63 LYS HD2 H 1.508 0.04 2 589 112 63 LYS HD3 H 1.587 0.04 2 590 112 63 LYS HE2 H 2.775 0.04 2 591 112 63 LYS HE3 H 2.815 0.04 2 592 112 63 LYS C C 177.859 0.40 1 593 112 63 LYS CA C 58.483 0.40 1 594 112 63 LYS CB C 35.050 0.40 1 595 112 63 LYS CG C 26.342 0.40 1 596 112 63 LYS CD C 31.152 0.40 1 597 112 63 LYS CE C 42.938 0.40 1 598 112 63 LYS N N 123.707 0.40 1 599 113 64 LYS H H 9.618 0.04 1 600 113 64 LYS HA H 3.652 0.04 1 601 113 64 LYS HB2 H 1.470 0.04 2 602 113 64 LYS HB3 H 1.566 0.04 2 603 113 64 LYS HG2 H 1.304 0.04 2 604 113 64 LYS HG3 H 1.049 0.04 2 605 113 64 LYS HD2 H 1.444 0.04 2 606 113 64 LYS HD3 H 1.555 0.04 2 607 113 64 LYS HE2 H 2.775 0.04 2 608 113 64 LYS HE3 H 2.699 0.04 2 609 113 64 LYS C C 179.448 0.40 1 610 113 64 LYS CA C 62.054 0.40 1 611 113 64 LYS CB C 32.900 0.40 1 612 113 64 LYS CG C 24.966 0.40 1 613 113 64 LYS CD C 30.618 0.40 1 614 113 64 LYS CE C 43.171 0.40 1 615 113 64 LYS N N 128.398 0.40 1 616 114 65 GLU H H 9.504 0.04 1 617 114 65 GLU HA H 3.895 0.04 1 618 114 65 GLU HB2 H 1.960 0.04 2 619 114 65 GLU HB3 H 1.933 0.04 2 620 114 65 GLU HG2 H 2.394 0.04 2 621 114 65 GLU HG3 H 2.128 0.04 2 622 114 65 GLU C C 179.646 0.40 1 623 114 65 GLU CA C 61.868 0.40 1 624 114 65 GLU CB C 29.505 0.40 1 625 114 65 GLU CG C 38.292 0.40 1 626 114 65 GLU N N 122.800 0.40 1 627 115 66 LEU H H 6.999 0.04 1 628 115 66 LEU HA H 3.840 0.04 1 629 115 66 LEU HB2 H 1.348 0.04 2 630 115 66 LEU HB3 H 1.471 0.04 2 631 115 66 LEU HG H 0.505 0.04 1 632 115 66 LEU HD1 H 0.095 0.04 2 633 115 66 LEU HD2 H 0.094 0.04 2 634 115 66 LEU C C 180.220 0.40 1 635 115 66 LEU CA C 57.391 0.40 1 636 115 66 LEU CB C 42.800 0.40 1 637 115 66 LEU CG C 27.275 0.40 1 638 115 66 LEU CD1 C 23.938 0.40 2 639 115 66 LEU CD2 C 23.922 0.40 2 640 115 66 LEU N N 120.459 0.40 1 641 116 67 ALA H H 8.268 0.04 1 642 116 67 ALA HA H 3.564 0.04 1 643 116 67 ALA HB H 1.142 0.04 1 644 116 67 ALA C C 179.793 0.40 1 645 116 67 ALA CA C 56.887 0.40 1 646 116 67 ALA CB C 18.256 0.40 1 647 116 67 ALA N N 124.933 0.40 1 648 117 68 GLY H H 7.850 0.04 1 649 117 68 GLY HA2 H 3.405 0.04 2 650 117 68 GLY HA3 H 3.307 0.04 2 651 117 68 GLY C C 179.378 0.40 1 652 117 68 GLY CA C 47.648 0.40 1 653 117 68 GLY N N 102.618 0.40 1 654 118 69 ALA H H 6.711 0.04 1 655 118 69 ALA HA H 3.347 0.04 1 656 118 69 ALA HB H 1.026 0.04 1 657 118 69 ALA C C 175.710 0.40 1 658 118 69 ALA CA C 53.830 0.40 1 659 118 69 ALA CB C 21.351 0.40 1 660 118 69 ALA N N 121.834 0.40 1 661 119 70 LEU H H 7.751 0.04 1 662 119 70 LEU HA H 3.689 0.04 1 663 119 70 LEU HB2 H 1.109 0.04 2 664 119 70 LEU HB3 H 0.993 0.04 2 665 119 70 LEU HG H 1.394 0.04 1 666 119 70 LEU HD1 H 0.397 0.04 2 667 119 70 LEU HD2 H 0.427 0.04 2 668 119 70 LEU C C 179.403 0.40 1 669 119 70 LEU CA C 57.867 0.40 1 670 119 70 LEU CB C 43.403 0.40 1 671 119 70 LEU CG C 29.141 0.40 1 672 119 70 LEU CD1 C 25.838 0.40 2 673 119 70 LEU CD2 C 25.644 0.40 2 674 119 70 LEU N N 115.513 0.40 1 675 120 71 ALA H H 8.677 0.04 1 676 120 71 ALA HA H 3.396 0.04 1 677 120 71 ALA HB H 1.166 0.04 1 678 120 71 ALA C C 180.028 0.40 1 679 120 71 ALA CA C 58.470 0.40 1 680 120 71 ALA CB C 17.311 0.40 1 681 120 71 ALA N N 126.169 0.40 1 682 121 72 TYR H H 7.814 0.04 1 683 121 72 TYR HA H 3.804 0.04 1 684 121 72 TYR HB2 H 2.967 0.04 2 685 121 72 TYR HB3 H 2.308 0.04 2 686 121 72 TYR C C 179.190 0.40 1 687 121 72 TYR CA C 62.446 0.40 1 688 121 72 TYR CB C 41.175 0.40 1 689 121 72 TYR N N 117.202 0.40 1 690 122 73 ILE H H 6.700 0.04 1 691 122 73 ILE HA H 3.221 0.04 1 692 122 73 ILE HB H 1.959 0.04 1 693 122 73 ILE HG12 H 1.651 0.04 2 694 122 73 ILE HG13 H 0.913 0.04 2 695 122 73 ILE HG2 H 0.714 0.04 1 696 122 73 ILE HD1 H 0.742 0.04 1 697 122 73 ILE C C 179.567 0.40 1 698 122 73 ILE CA C 65.709 0.40 1 699 122 73 ILE CB C 39.364 0.40 1 700 122 73 ILE CG1 C 30.924 0.40 1 701 122 73 ILE CG2 C 19.590 0.40 1 702 122 73 ILE CD1 C 15.225 0.40 1 703 122 73 ILE N N 118.376 0.40 1 704 123 74 MET H H 7.875 0.04 1 705 123 74 MET HA H 3.930 0.04 1 706 123 74 MET HE H 1.674 0.04 1 707 123 74 MET CA C 60.578 0.40 1 708 123 74 MET CE C 17.749 0.40 1 709 123 74 MET N N 118.715 0.40 1 710 124 75 ASP H H 8.982 0.04 1 711 124 75 ASP HA H 4.024 0.04 1 712 124 75 ASP HB2 H 2.204 0.04 2 713 124 75 ASP HB3 H 2.313 0.04 2 714 124 75 ASP C C 178.465 0.40 1 715 124 75 ASP CA C 58.125 0.40 1 716 124 75 ASP CB C 40.239 0.40 1 717 124 75 ASP N N 122.640 0.40 1 718 125 76 ASN H H 6.852 0.04 1 719 125 76 ASN HA H 4.355 0.04 1 720 125 76 ASN HB2 H 2.296 0.04 2 721 125 76 ASN HB3 H 1.718 0.04 2 722 125 76 ASN C C 178.251 0.40 1 723 125 76 ASN CA C 54.217 0.40 1 724 125 76 ASN CB C 39.514 0.40 1 725 125 76 ASN N N 114.175 0.40 1 726 126 77 LYS H H 7.470 0.04 1 727 126 77 LYS HA H 3.637 0.04 1 728 126 77 LYS HB2 H 1.424 0.04 2 729 126 77 LYS HB3 H 1.341 0.04 2 730 126 77 LYS HG2 H 1.042 0.04 2 731 126 77 LYS HG3 H 1.042 0.04 2 732 126 77 LYS HD2 H 1.607 0.04 2 733 126 77 LYS HD3 H 1.607 0.04 2 734 126 77 LYS HE2 H 2.698 0.04 2 735 126 77 LYS HE3 H 2.698 0.04 2 736 126 77 LYS C C 173.105 0.40 1 737 126 77 LYS CA C 58.019 0.40 1 738 126 77 LYS CB C 29.937 0.40 1 739 126 77 LYS CG C 25.828 0.40 1 740 126 77 LYS CD C 29.849 0.40 1 741 126 77 LYS CE C 43.118 0.40 1 742 126 77 LYS N N 117.400 0.40 1 743 127 78 LEU H H 8.129 0.04 1 744 127 78 LEU HA H 3.888 0.04 1 745 127 78 LEU HB2 H 1.340 0.04 2 746 127 78 LEU HB3 H 1.199 0.04 2 747 127 78 LEU HG H 1.080 0.04 1 748 127 78 LEU HD1 H 0.551 0.04 2 749 127 78 LEU HD2 H 0.474 0.04 2 750 127 78 LEU C C 177.241 0.40 1 751 127 78 LEU CA C 57.037 0.40 1 752 127 78 LEU CB C 44.944 0.40 1 753 127 78 LEU CG C 28.007 0.40 1 754 127 78 LEU CD1 C 26.873 0.40 2 755 127 78 LEU CD2 C 22.841 0.40 2 756 127 78 LEU N N 116.607 0.40 1 757 128 79 ALA H H 6.989 0.04 1 758 128 79 ALA HA H 4.556 0.04 1 759 128 79 ALA HB H 1.084 0.04 1 760 128 79 ALA C C 177.739 0.40 1 761 128 79 ALA CA C 51.924 0.40 1 762 128 79 ALA CB C 23.349 0.40 1 763 128 79 ALA N N 116.230 0.40 1 764 129 80 GLN H H 9.297 0.04 1 765 129 80 GLN HA H 4.193 0.04 1 766 129 80 GLN HB2 H 1.705 0.04 2 767 129 80 GLN HB3 H 1.589 0.04 2 768 129 80 GLN HG2 H 1.988 0.04 2 769 129 80 GLN HG3 H 1.946 0.04 2 770 129 80 GLN C C 176.405 0.40 1 771 129 80 GLN CA C 56.131 0.40 1 772 129 80 GLN CB C 31.112 0.40 1 773 129 80 GLN CG C 34.963 0.40 1 774 129 80 GLN N N 122.261 0.40 1 775 130 81 ILE H H 8.241 0.04 1 776 130 81 ILE HA H 4.389 0.04 1 777 130 81 ILE HB H 1.090 0.04 1 778 130 81 ILE HG12 H -0.165 0.04 2 779 130 81 ILE HG13 H 0.934 0.04 2 780 130 81 ILE HG2 H -0.188 0.04 1 781 130 81 ILE HD1 H 0.299 0.04 1 782 130 81 ILE C C 175.622 0.40 1 783 130 81 ILE CA C 61.128 0.40 1 784 130 81 ILE CB C 40.502 0.40 1 785 130 81 ILE CG1 C 27.517 0.40 1 786 130 81 ILE CG2 C 18.602 0.40 1 787 130 81 ILE CD1 C 15.503 0.40 1 788 130 81 ILE N N 124.990 0.40 1 789 131 82 GLU H H 8.550 0.04 1 790 131 82 GLU HA H 4.459 0.04 1 791 131 82 GLU HG2 H 1.899 0.04 2 792 131 82 GLU HG3 H 1.798 0.04 2 793 131 82 GLU C C 176.434 0.40 1 794 131 82 GLU CA C 55.043 0.40 1 795 131 82 GLU CG C 37.213 0.40 1 796 131 82 GLU N N 127.920 0.40 1 797 132 83 GLY H H 8.803 0.04 1 798 132 83 GLY HA2 H 4.898 0.04 2 799 132 83 GLY HA3 H 2.656 0.04 2 800 132 83 GLY C C 176.678 0.40 1 801 132 83 GLY CA C 45.486 0.40 1 802 132 83 GLY N N 110.782 0.40 1 803 133 84 VAL H H 8.218 0.04 1 804 133 84 VAL HA H 4.458 0.04 1 805 133 84 VAL HB H 1.545 0.04 1 806 133 84 VAL HG1 H 0.464 0.04 2 807 133 84 VAL HG2 H 0.414 0.04 2 808 133 84 VAL C C 171.962 0.40 1 809 133 84 VAL CA C 60.701 0.40 1 810 133 84 VAL CB C 37.576 0.40 1 811 133 84 VAL CG1 C 22.522 0.40 2 812 133 84 VAL CG2 C 21.559 0.40 2 813 133 84 VAL N N 122.743 0.40 1 814 134 85 VAL H H 7.724 0.04 1 815 134 85 VAL HA H 4.246 0.04 1 816 134 85 VAL HG1 H 0.574 0.04 2 817 134 85 VAL C C 175.045 0.40 1 818 134 85 VAL CA C 60.410 0.40 1 819 134 85 VAL CG1 C 21.471 0.40 2 820 134 85 VAL N N 129.436 0.40 1 821 135 86 PRO HA H 4.009 0.04 1 822 135 86 PRO HB2 H 1.589 0.04 2 823 135 86 PRO HB3 H 1.457 0.04 2 824 135 86 PRO HG2 H 0.922 0.04 2 825 135 86 PRO HG3 H 0.837 0.04 2 826 135 86 PRO HD2 H 3.310 0.04 2 827 135 86 PRO HD3 H 3.470 0.04 2 828 135 86 PRO CA C 64.896 0.40 1 829 135 86 PRO CB C 32.700 0.40 1 830 135 86 PRO CG C 26.861 0.40 1 831 135 86 PRO CD C 50.836 0.40 1 832 136 87 PHE H H 6.836 0.04 1 833 136 87 PHE HA H 4.151 0.04 1 834 136 87 PHE HB2 H 2.983 0.04 2 835 136 87 PHE HB3 H 2.672 0.04 2 836 136 87 PHE C C 176.141 0.40 1 837 136 87 PHE CA C 56.884 0.40 1 838 136 87 PHE CB C 39.774 0.40 1 839 136 87 PHE N N 114.326 0.40 1 840 137 88 GLY H H 8.246 0.04 1 841 137 88 GLY HA2 H 3.550 0.04 2 842 137 88 GLY HA3 H 3.550 0.04 2 843 137 88 GLY C C 174.293 0.40 1 844 137 88 GLY CA C 46.785 0.40 1 845 137 88 GLY N N 104.766 0.40 1 846 138 89 ALA H H 8.006 0.04 1 847 138 89 ALA HA H 3.781 0.04 1 848 138 89 ALA HB H 0.877 0.04 1 849 138 89 ALA C C 176.160 0.40 1 850 138 89 ALA CA C 54.910 0.40 1 851 138 89 ALA CB C 19.327 0.40 1 852 138 89 ALA N N 121.881 0.40 1 853 139 90 ASN H H 7.816 0.04 1 854 139 90 ASN HA H 4.453 0.04 1 855 139 90 ASN HB2 H 2.498 0.04 2 856 139 90 ASN HB3 H 2.521 0.04 2 857 139 90 ASN C C 178.321 0.40 1 858 139 90 ASN CA C 53.258 0.40 1 859 139 90 ASN CB C 39.189 0.40 1 860 139 90 ASN N N 113.333 0.40 1 861 140 91 ASN H H 7.583 0.04 1 862 140 91 ASN HA H 4.091 0.04 1 863 140 91 ASN HB2 H 2.589 0.04 2 864 140 91 ASN HB3 H 2.822 0.04 2 865 140 91 ASN C C 176.004 0.40 1 866 140 91 ASN CA C 54.250 0.40 1 867 140 91 ASN CB C 40.114 0.40 1 868 140 91 ASN N N 122.304 0.40 1 869 141 92 ALA H H 7.986 0.04 1 870 141 92 ALA HA H 3.629 0.04 1 871 141 92 ALA HB H 0.509 0.04 1 872 141 92 ALA C C 175.797 0.40 1 873 141 92 ALA CA C 54.391 0.40 1 874 141 92 ALA CB C 20.390 0.40 1 875 141 92 ALA N N 121.529 0.40 1 876 142 93 PHE H H 8.092 0.04 1 877 142 93 PHE HB2 H 2.740 0.04 2 878 142 93 PHE HB3 H 2.858 0.04 2 879 142 93 PHE C C 178.900 0.40 1 880 142 93 PHE CB C 42.402 0.40 1 881 142 93 PHE N N 113.439 0.40 1 882 143 94 THR H H 7.856 0.04 1 883 143 94 THR HA H 5.039 0.04 1 884 143 94 THR HG2 H 0.954 0.04 1 885 143 94 THR C C 177.259 0.40 1 886 143 94 THR CA C 61.022 0.40 1 887 143 94 THR CG2 C 23.364 0.40 1 888 143 94 THR N N 114.555 0.40 1 889 144 95 MET H H 8.720 0.04 1 890 144 95 MET HA H 4.861 0.04 1 891 144 95 MET HB2 H 1.675 0.04 2 892 144 95 MET HB3 H 1.675 0.04 2 893 144 95 MET HG2 H 2.173 0.04 2 894 144 95 MET HG3 H 2.091 0.04 2 895 144 95 MET HE H 1.590 0.04 1 896 144 95 MET C C 173.150 0.40 1 897 144 95 MET CA C 53.809 0.40 1 898 144 95 MET CB C 37.419 0.40 1 899 144 95 MET CG C 31.193 0.40 1 900 144 95 MET CE C 18.201 0.40 1 901 144 95 MET N N 123.225 0.40 1 902 145 96 PRO HA H 4.257 0.04 1 903 145 96 PRO HB2 H 1.090 0.04 2 904 145 96 PRO HB3 H 1.725 0.04 2 905 145 96 PRO HG2 H 1.341 0.04 2 906 145 96 PRO HG3 H 1.050 0.04 2 907 145 96 PRO HD2 H 3.553 0.04 2 908 145 96 PRO HD3 H 3.398 0.04 2 909 145 96 PRO CA C 63.520 0.40 1 910 145 96 PRO CB C 33.585 0.40 1 911 145 96 PRO CG C 28.299 0.40 1 912 145 96 PRO CD C 51.536 0.40 1 913 146 97 LEU H H 7.300 0.04 1 914 146 97 LEU HA H 4.333 0.04 1 915 146 97 LEU HB2 H 0.881 0.04 2 916 146 97 LEU HB3 H 0.814 0.04 2 917 146 97 LEU HG H 0.808 0.04 1 918 146 97 LEU HD1 H 0.278 0.04 2 919 146 97 LEU HD2 H 0.236 0.04 2 920 146 97 LEU C C 174.470 0.40 1 921 146 97 LEU CA C 54.218 0.40 1 922 146 97 LEU CB C 47.198 0.40 1 923 146 97 LEU CG C 28.611 0.40 1 924 146 97 LEU CD1 C 27.303 0.40 2 925 146 97 LEU CD2 C 25.867 0.40 2 926 146 97 LEU N N 117.009 0.40 1 927 147 98 HIS H H 9.005 0.04 1 928 147 98 HIS HA H 4.703 0.04 1 929 147 98 HIS HB2 H 2.874 0.04 2 930 147 98 HIS HB3 H 2.430 0.04 2 931 147 98 HIS C C 175.525 0.40 1 932 147 98 HIS CA C 56.550 0.40 1 933 147 98 HIS CB C 33.193 0.40 1 934 147 98 HIS N N 128.727 0.40 1 935 148 99 MET H H 8.577 0.04 1 936 148 99 MET HA H 5.093 0.04 1 937 148 99 MET HB2 H 1.212 0.04 2 938 148 99 MET HB3 H 1.212 0.04 2 939 148 99 MET HG2 H 1.807 0.04 2 940 148 99 MET HG3 H 1.636 0.04 2 941 148 99 MET HE H 1.408 0.04 1 942 148 99 MET C C 176.063 0.40 1 943 148 99 MET CA C 55.102 0.40 1 944 148 99 MET CB C 37.754 0.40 1 945 148 99 MET CG C 33.569 0.40 1 946 148 99 MET CE C 18.500 0.40 1 947 148 99 MET N N 127.504 0.40 1 948 149 100 THR H H 8.562 0.04 1 949 149 100 THR HA H 4.442 0.04 1 950 149 100 THR HB H 3.553 0.04 1 951 149 100 THR HG2 H 0.623 0.04 1 952 149 100 THR C C 175.611 0.40 1 953 149 100 THR CA C 62.210 0.40 1 954 149 100 THR CB C 71.462 0.40 1 955 149 100 THR CG2 C 23.579 0.40 1 956 149 100 THR N N 117.214 0.40 1 957 150 101 PHE H H 8.063 0.04 1 958 150 101 PHE HA H 4.763 0.04 1 959 150 101 PHE HB2 H 2.760 0.04 2 960 150 101 PHE HB3 H 2.233 0.04 2 961 150 101 PHE C C 173.281 0.40 1 962 150 101 PHE CA C 57.166 0.40 1 963 150 101 PHE CB C 43.215 0.40 1 964 150 101 PHE N N 123.446 0.40 1 965 151 102 TRP H H 8.705 0.04 1 966 151 102 TRP HA H 4.737 0.04 1 967 151 102 TRP HB2 H 2.649 0.04 2 968 151 102 TRP HB3 H 2.452 0.04 2 969 151 102 TRP C C 174.581 0.40 1 970 151 102 TRP CA C 55.662 0.40 1 971 151 102 TRP CB C 33.560 0.40 1 972 151 102 TRP N N 124.626 0.40 1 973 152 103 GLY H H 8.056 0.04 1 974 152 103 GLY HA2 H 3.865 0.04 2 975 152 103 GLY HA3 H 3.693 0.04 2 976 152 103 GLY C C 176.205 0.40 1 977 152 103 GLY CA C 47.404 0.40 1 978 152 103 GLY N N 107.917 0.40 1 979 153 104 LYS H H 8.806 0.04 1 980 153 104 LYS HA H 4.399 0.04 1 981 153 104 LYS HB2 H 1.830 0.04 2 982 153 104 LYS HB3 H 1.428 0.04 2 983 153 104 LYS HG2 H 1.272 0.04 2 984 153 104 LYS HG3 H 1.272 0.04 2 985 153 104 LYS HD2 H 1.393 0.04 2 986 153 104 LYS HD3 H 1.393 0.04 2 987 153 104 LYS HE2 H 2.692 0.04 2 988 153 104 LYS HE3 H 2.692 0.04 2 989 153 104 LYS C C 172.347 0.40 1 990 153 104 LYS CA C 55.953 0.40 1 991 153 104 LYS CB C 34.447 0.40 1 992 153 104 LYS CG C 25.837 0.40 1 993 153 104 LYS CD C 30.080 0.40 1 994 153 104 LYS CE C 43.089 0.40 1 995 153 104 LYS N N 121.060 0.40 1 996 154 105 GLU H H 9.110 0.04 1 997 154 105 GLU HA H 3.722 0.04 1 998 154 105 GLU HB2 H 1.984 0.04 2 999 154 105 GLU HB3 H 1.695 0.04 2 1000 154 105 GLU HG2 H 2.157 0.04 2 1001 154 105 GLU HG3 H 1.957 0.04 2 1002 154 105 GLU C C 179.543 0.40 1 1003 154 105 GLU CA C 61.053 0.40 1 1004 154 105 GLU CB C 30.568 0.40 1 1005 154 105 GLU CG C 35.932 0.40 1 1006 154 105 GLU N N 126.172 0.40 1 1007 155 106 GLU H H 9.054 0.04 1 1008 155 106 GLU HA H 3.939 0.04 1 1009 155 106 GLU HB2 H 1.808 0.04 2 1010 155 106 GLU HB3 H 1.740 0.04 2 1011 155 106 GLU HG2 H 1.889 0.04 2 1012 155 106 GLU HG3 H 1.889 0.04 2 1013 155 106 GLU C C 179.288 0.40 1 1014 155 106 GLU CA C 59.609 0.40 1 1015 155 106 GLU CB C 29.862 0.40 1 1016 155 106 GLU CG C 36.568 0.40 1 1017 155 106 GLU N N 116.044 0.40 1 1018 156 107 ASN H H 8.049 0.04 1 1019 156 107 ASN HA H 4.861 0.04 1 1020 156 107 ASN HB2 H 2.960 0.04 2 1021 156 107 ASN HB3 H 2.780 0.04 2 1022 156 107 ASN C C 177.764 0.40 1 1023 156 107 ASN CA C 53.787 0.40 1 1024 156 107 ASN CB C 41.140 0.40 1 1025 156 107 ASN N N 117.975 0.40 1 1026 157 108 ARG H H 7.438 0.04 1 1027 157 108 ARG HA H 1.923 0.04 1 1028 157 108 ARG HB2 H 1.288 0.04 2 1029 157 108 ARG HB3 H 1.288 0.04 2 1030 157 108 ARG HG2 H 0.721 0.04 2 1031 157 108 ARG HG3 H 0.507 0.04 2 1032 157 108 ARG HD2 H 2.993 0.04 2 1033 157 108 ARG HD3 H 2.665 0.04 2 1034 157 108 ARG C C 175.069 0.40 1 1035 157 108 ARG CA C 61.298 0.40 1 1036 157 108 ARG CB C 32.175 0.40 1 1037 157 108 ARG CG C 27.892 0.40 1 1038 157 108 ARG CD C 44.431 0.40 1 1039 157 108 ARG N N 123.887 0.40 1 1040 158 109 LYS H H 8.281 0.04 1 1041 158 109 LYS HA H 3.557 0.04 1 1042 158 109 LYS HB2 H 1.491 0.04 2 1043 158 109 LYS HB3 H 1.409 0.04 2 1044 158 109 LYS HG2 H 1.042 0.04 2 1045 158 109 LYS HG3 H 1.042 0.04 2 1046 158 109 LYS HD2 H 1.373 0.04 2 1047 158 109 LYS HD3 H 1.270 0.04 2 1048 158 109 LYS HE2 H 2.874 0.04 2 1049 158 109 LYS HE3 H 2.692 0.04 2 1050 158 109 LYS C C 179.222 0.40 1 1051 158 109 LYS CA C 60.250 0.40 1 1052 158 109 LYS CB C 32.547 0.40 1 1053 158 109 LYS CG C 25.809 0.40 1 1054 158 109 LYS CD C 30.040 0.40 1 1055 158 109 LYS CE C 43.090 0.40 1 1056 158 109 LYS N N 120.763 0.40 1 1057 159 110 ALA H H 7.869 0.04 1 1058 159 110 ALA HA H 3.815 0.04 1 1059 159 110 ALA HB H 1.221 0.04 1 1060 159 110 ALA C C 178.401 0.40 1 1061 159 110 ALA CA C 55.847 0.40 1 1062 159 110 ALA CB C 19.474 0.40 1 1063 159 110 ALA N N 122.126 0.40 1 1064 160 111 VAL H H 7.400 0.04 1 1065 160 111 VAL HA H 3.027 0.04 1 1066 160 111 VAL HB H 1.521 0.04 1 1067 160 111 VAL HG1 H 0.318 0.04 2 1068 160 111 VAL HG2 H 0.763 0.04 2 1069 160 111 VAL C C 182.541 0.40 1 1070 160 111 VAL CA C 68.174 0.40 1 1071 160 111 VAL CB C 32.228 0.40 1 1072 160 111 VAL CG1 C 21.838 0.40 2 1073 160 111 VAL CG2 C 26.951 0.40 2 1074 160 111 VAL N N 118.843 0.40 1 1075 161 112 SER H H 7.781 0.04 1 1076 161 112 SER HA H 3.494 0.04 1 1077 161 112 SER HB2 H 3.546 0.04 2 1078 161 112 SER HB3 H 3.546 0.04 2 1079 161 112 SER C C 177.700 0.40 1 1080 161 112 SER CA C 63.517 0.40 1 1081 161 112 SER CB C 63.530 0.40 1 1082 161 112 SER N N 115.825 0.40 1 1083 162 113 ASP H H 9.024 0.04 1 1084 162 113 ASP HA H 4.024 0.04 1 1085 162 113 ASP HB2 H 2.440 0.04 2 1086 162 113 ASP HB3 H 2.212 0.04 2 1087 162 113 ASP C C 181.188 0.40 1 1088 162 113 ASP CA C 58.147 0.40 1 1089 162 113 ASP CB C 40.761 0.40 1 1090 162 113 ASP N N 122.654 0.40 1 1091 163 114 GLN H H 7.306 0.04 1 1092 163 114 GLN HA H 3.917 0.04 1 1093 163 114 GLN HB2 H 1.868 0.04 2 1094 163 114 GLN HB3 H 1.730 0.04 2 1095 163 114 GLN HG2 H 2.255 0.04 2 1096 163 114 GLN HG3 H 2.053 0.04 2 1097 163 114 GLN C C 179.677 0.40 1 1098 163 114 GLN CA C 58.897 0.40 1 1099 163 114 GLN CB C 27.137 0.40 1 1100 163 114 GLN CG C 33.374 0.40 1 1101 163 114 GLN N N 121.737 0.40 1 1102 164 115 LEU H H 7.537 0.04 1 1103 164 115 LEU HA H 3.745 0.04 1 1104 164 115 LEU HB2 H 1.391 0.04 2 1105 164 115 LEU HB3 H 0.995 0.04 2 1106 164 115 LEU HG H -0.070 0.04 1 1107 164 115 LEU HD1 H 0.164 0.04 2 1108 164 115 LEU HD2 H 0.164 0.04 2 1109 164 115 LEU C C 178.357 0.40 1 1110 164 115 LEU CA C 59.308 0.40 1 1111 164 115 LEU CB C 41.517 0.40 1 1112 164 115 LEU CG C 27.264 0.40 1 1113 164 115 LEU CD1 C 23.746 0.40 2 1114 164 115 LEU CD2 C 23.747 0.40 2 1115 164 115 LEU N N 118.164 0.40 1 1116 165 116 LYS H H 8.155 0.04 1 1117 165 116 LYS HA H 3.908 0.04 1 1118 165 116 LYS HB2 H 1.728 0.04 2 1119 165 116 LYS HB3 H 1.624 0.04 2 1120 165 116 LYS HG2 H 1.209 0.04 2 1121 165 116 LYS HG3 H 1.120 0.04 2 1122 165 116 LYS HD2 H 1.365 0.04 2 1123 165 116 LYS HD3 H 1.365 0.04 2 1124 165 116 LYS HE2 H 2.633 0.04 2 1125 165 116 LYS HE3 H 2.633 0.04 2 1126 165 116 LYS C C 180.698 0.40 1 1127 165 116 LYS CA C 60.571 0.40 1 1128 165 116 LYS CB C 33.353 0.40 1 1129 165 116 LYS CG C 25.820 0.40 1 1130 165 116 LYS CD C 30.146 0.40 1 1131 165 116 LYS CE C 42.943 0.40 1 1132 165 116 LYS N N 122.529 0.40 1 1133 166 117 LYS H H 7.549 0.04 1 1134 166 117 LYS HA H 3.667 0.04 1 1135 166 117 LYS HG2 H 1.031 0.04 2 1136 166 117 LYS HG3 H 0.858 0.04 2 1137 166 117 LYS HD2 H 1.229 0.04 2 1138 166 117 LYS HD3 H 1.229 0.04 2 1139 166 117 LYS HE2 H 2.517 0.04 2 1140 166 117 LYS HE3 H 2.517 0.04 2 1141 166 117 LYS C C 181.334 0.40 1 1142 166 117 LYS CA C 59.706 0.40 1 1143 166 117 LYS CG C 25.633 0.40 1 1144 166 117 LYS CD C 30.375 0.40 1 1145 166 117 LYS CE C 42.830 0.40 1 1146 166 117 LYS N N 121.075 0.40 1 1147 167 118 HIS H H 7.033 0.04 1 1148 167 118 HIS HA H 4.151 0.04 1 1149 167 118 HIS HB2 H 3.370 0.04 2 1150 167 118 HIS HB3 H 2.635 0.04 2 1151 167 118 HIS C C 177.661 0.40 1 1152 167 118 HIS CA C 56.833 0.40 1 1153 167 118 HIS CB C 33.847 0.40 1 1154 167 118 HIS N N 116.575 0.40 1 1155 168 119 GLY H H 7.472 0.04 1 1156 168 119 GLY HA2 H 3.592 0.04 2 1157 168 119 GLY HA3 H 3.313 0.04 2 1158 168 119 GLY C C 174.754 0.40 1 1159 168 119 GLY CA C 46.379 0.40 1 1160 168 119 GLY N N 107.239 0.40 1 1161 169 120 PHE H H 7.674 0.04 1 1162 169 120 PHE HB2 H 2.616 0.04 2 1163 169 120 PHE HB3 H 2.268 0.04 2 1164 169 120 PHE C C 174.695 0.40 1 1165 169 120 PHE CB C 42.999 0.40 1 1166 169 120 PHE N N 120.389 0.40 1 1167 170 121 LYS H H 8.062 0.04 1 1168 170 121 LYS HA H 4.070 0.04 1 1169 170 121 LYS HB2 H 1.489 0.04 2 1170 170 121 LYS HB3 H 1.382 0.04 2 1171 170 121 LYS HG2 H 1.055 0.04 2 1172 170 121 LYS HG3 H 1.011 0.04 2 1173 170 121 LYS HD2 H 1.300 0.04 2 1174 170 121 LYS HD3 H 1.300 0.04 2 1175 170 121 LYS HE2 H 2.640 0.04 2 1176 170 121 LYS HE3 H 2.640 0.04 2 1177 170 121 LYS C C 174.927 0.40 1 1178 170 121 LYS CA C 56.553 0.40 1 1179 170 121 LYS CB C 35.661 0.40 1 1180 170 121 LYS CG C 24.751 0.40 1 1181 170 121 LYS CD C 30.183 0.40 1 1182 170 121 LYS CE C 43.012 0.40 1 1183 170 121 LYS N N 121.445 0.40 1 1184 171 122 LEU H H 7.588 0.04 1 1185 171 122 LEU HA H 4.359 0.04 1 1186 171 122 LEU HB2 H 1.235 0.04 2 1187 171 122 LEU HB3 H 1.105 0.04 2 1188 171 122 LEU HG H 0.438 0.04 1 1189 171 122 LEU HD1 H 0.345 0.04 2 1190 171 122 LEU HD2 H 0.346 0.04 2 1191 171 122 LEU C C 174.726 0.40 1 1192 171 122 LEU CA C 55.895 0.40 1 1193 171 122 LEU CB C 43.654 0.40 1 1194 171 122 LEU CG C 26.829 0.40 1 1195 171 122 LEU CD1 C 25.438 0.40 2 1196 171 122 LEU CD2 C 25.410 0.40 2 1197 171 122 LEU N N 129.112 0.40 1 stop_ save_